[DFTB-Plus-User] forces md frames

[Stefano Guglielmo]

Hi all,
I have carried out an MD simulation with dftb+ on a small organic molecule
(77 atoms); I would need to get energies and forces for all the frames and
I was wondering if there is a way to calculate forces for each frame (ca
10000) or, eventually, if there is an option to generate forces for each
frame during the MD simulation.

Thanks
Stefano

-- 
Stefano GUGLIELMO PhD
Associate Professor of Medicinal Chemistry
Department of Drug Science and Technology
University of Turin
Via P. Giuria 9
10125 Turin, ITALY
ph. +39 (0)11 6707178
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